N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide

C23H22N2O2 — CID 3596671

IUPACN-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3cccc(C)c3)ccc21
InChIInChI=1S/C23H22N2O2/c1-3-25-21-10-5-4-9-19(21)20-14-17(11-12-22(20)25)24-23(26)15-27-18-8-6-7-16(2)13-18/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyRWJQIWZQQAAOBL-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.14
Rot. Bonds5

About N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide

N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 3596671) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide
PubChem CID3596671
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3cccc(C)c3)ccc21
InChIInChI=1S/C23H22N2O2/c1-3-25-21-10-5-4-9-19(21)20-14-17(11-12-22(20)25)24-23(26)15-27-18-8-6-7-16(2)13-18/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyRWJQIWZQQAAOBL-UHFFFAOYSA-N
XLogP5.14
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide (CID 3596671) is N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide is CCn1c2ccccc2c2cc(NC(=O)COc3cccc(C)c3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is RWJQIWZQQAAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-25-21-10-5-4-9-19(21)20-14-17(11-12-22(20)25)24-23(26)15-27-18-8-6-7-16(2)13-18/h4-14H,3,15H2,1-2H3,(H,24,26).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide?
N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 358.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 3596671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).